SCHEMBL6656904

SCHEMBL6656904

COC(=O)c1ncoc1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
CES1 P23141 4/20 0.46
FAAH O00519 4/20 0.46
DAGLA Q9Y4D2 1/20 0.45
GSK3B P49841 1/20 0.44
RNASEH1 O60930 1/20 0.43
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 1/20 0.41
KDM5B Q9UGL1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11317135 0.87 PTGIR (0.48) CES1FAAHGSK3BRNASEH1CYP1A2
SCHEMBL7429208 0.81 L3MBTL1 (0.52) GSK3BSMN1; SMN2LMNA
Bromide SCHEMBL7432518 0.78 NPSR1 (0.37) MMP2CES1FAAHGSK3BCYP1A2
SCHEMBL7006107 0.78 NPSR1 (0.37) MMP2CES1FAAHGSK3BKDM4E
SCHEMBL11001539 0.78 FBP1 (0.39) FAAHSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12203721 0.77 L3MBTL1 (0.49) KDM4ELMNAKMT2A
SCHEMBL11829444 0.76 CES1 (0.45) MMP2CES1FAAHDAGLARNASEH1
SCHEMBL6656900 0.75 SMN1; SMN2 (0.43) MMP2CES1FAAHDAGLAGSK3B
SCHEMBL21776794 0.75 KDM4E (0.50) MMP2CES1FAAHKDM4EMEN1
SCHEMBL12138862 0.73 SMN1; SMN2 (0.45) SMN1; SMN2KDM4ELMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL MMP2 468/4885CES1 359/4885FAAH 4733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.